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2-Chloroethyl 1-(p-tolyl)-1H-indole-3-sulfonate
SpectraBase Compound ID 6SQT6WEaCVF
InChI InChI=1S/C17H16ClNO3S/c1-13-6-8-14(9-7-13)19-12-17(23(20,21)22-11-10-18)15-4-2-3-5-16(15)19/h2-9,12H,10-11H2,1H3
InChIKey BZYQDYVXJBPWSS-UHFFFAOYSA-N
Mol Weight 349.83 g/mol
Molecular Formula C17H16ClNO3S
Exact Mass 349.053942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3YpNufsLZI
Name 2-Chloroethyl 1-(p-tolyl)-1H-indole-3-sulfonate
Appearance White solid
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Exact Mass 349.053942250 u
Formula C17H16ClNO3S
InChI InChI=1S/C17H16ClNO3S/c1-13-6-8-14(9-7-13)19-12-17(23(20,21)22-11-10-18)15-4-2-3-5-16(15)19/h2-9,12H,10-11H2,1H3
InChIKey BZYQDYVXJBPWSS-UHFFFAOYSA-N
Instrument Name Agilent 5975N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201612565
Molecular Weight 349.832 g/mol
Reported Formula C17H16ClNO3S
SMILES C1(S(OCCCl)(=O)=O)=CN(C2=C1C=CC=C2)C1=CC=C(C=C1)C
SPLASH splash10-0pba-0089000000-e12c006819c7913813f2
Source of Spectrum ACI-56-SM18-2b (DOI: 10.1002/anie.201612565)
Wiley ID 1895521